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Compound Detail

CHEMBL1365146

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Cn1c(S)nnc1-c1sc2cc(C(F)(F)F)cnc2c1-c1cccnc1

Basic Information

ChEMBL ID CHEMBL1365146
Phase Preclinical
Structure Type MOL
InChI Key UCICTXASSIZLEY-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
4.46
ALogP
7
HBA
1
HBD
56.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10F3N5S2
MW 393.42
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.87

Activity Summary

EC50 3 meas. best 5.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1
CHEMBL2095162
EC50 5.31 5.31 4858.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2
CHEMBL2095163
EC50 5.1 5.1 7926.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 3
CHEMBL2095161
EC50 4.7 4.7 20160.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine